Compound Detail
CHEMBL3658652
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C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(=O)[nH]c3)c2cn1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3658652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNGMIAOSGHAFCL-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
3.34
ALogP
4
HBA
4
HBD
115.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.3037 | nM | 9.52 | IMAP-FP Assay: Activated ERK2 activity was determined in an IMAP-FP assay (Molec... | - |
Data from ChEMBL 36 via Core Engine